Page last updated: 2024-12-10

1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

## 1-Benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester

This compound is a **pyrazole derivative** with a complex structure. Its chemical name is quite long and can be broken down into several parts:

* **1-Benzoyl:** Indicates a benzoyl group (C6H5CO-) attached at the first position of the pyrazole ring.
* **5-Hydroxy:** Signifies a hydroxyl group (OH-) attached at the fifth position of the pyrazole ring.
* **5-(4-methylphenyl):** Represents a para-methylphenyl group (C6H4CH3-) also attached at the fifth position of the pyrazole ring.
* **4H-pyrazole:** Refers to the pyrazole ring with a hydrogen atom at the fourth position.
* **3-carboxylic acid ethyl ester:** This indicates an ethyl ester group (CO2CH2CH3) attached to the third position of the pyrazole ring.

**Importance in research:**

This specific compound has not been widely studied and information about its specific applications in research is scarce. However, it's crucial to understand that **pyrazole derivatives** in general are known for their **pharmacological activity** and are frequently investigated for their potential use in:

* **Anti-inflammatory:** Pyrazoles have shown promise in reducing inflammation.
* **Anti-cancer:** Some pyrazole derivatives exhibit anticancer activity by targeting specific cellular pathways.
* **Antimicrobial:** Pyrazole compounds can possess antimicrobial properties, making them potentially useful for treating infections.
* **Other therapeutic applications:** Pyrazoles have been explored for their potential in treating a variety of other conditions like epilepsy, Alzheimer's disease, and even HIV.

**Further research:**

To understand the potential of 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester, further investigation is required. Research could focus on:

* **Synthesis and purification:** Developing efficient methods for synthesizing and purifying the compound.
* **Biological activity:** Studying its interactions with biological systems, including its effects on specific enzymes or receptors.
* **Pharmacokinetic properties:** Investigating how the compound is absorbed, distributed, metabolized, and excreted in the body.
* **Toxicity studies:** Determining the safety profile of the compound before considering any potential therapeutic applications.

Overall, this compound represents a promising lead for exploring new therapeutic agents based on the pyrazole scaffold. However, more research is necessary to fully understand its properties and potential applications.

Cross-References

ID SourceID
PubMed CID4343946
CHEMBL ID1379214
CHEBI ID109715

Synonyms (15)

Synonym
HMS2592D04
ethyl 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate
AG-690/36660062
OPREA1_583421
smr000226333
MLS000700096 ,
CHEBI:109715
ethyl 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4h-pyrazole-3-carboxylate
cid_4343946
1-benzoyl-5-hydroxy-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester
1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4h-pyrazole-3-carboxylic acid ethyl ester
bdbm72352
ethyl 5-(4-methylphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4h-pyrazole-3-carboxylate
CHEMBL1379214
Q27188943
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzoic acidsAny aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency25.11895.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency13.45910.007215.758889.3584AID588342
TDP1 proteinHomo sapiens (human)Potency27.51100.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency19.95260.180013.557439.8107AID1460
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency3.98110.707912.194339.8107AID720542
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency39.81070.010323.856763.0957AID2662
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency19.09190.00798.23321,122.0200AID2546; AID2551
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency25.11890.025911.239831.6228AID602313
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)260.00000.160024.4900236.5000AID435004
corticotropin-releasing hormone receptor 2Homo sapiens (human)EC50 (µMol)13.50001.120011.561736.8000AID602473
corticotropin releasing factor-binding proteinHomo sapiens (human)EC50 (µMol)13.50001.120011.561736.8000AID602473
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)AbsAC40_uM8.91001.240012.460025.2000AID602296
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]